SCHEMBL1828941

SCHEMBL1828941

CCCCSc1nc(N)c2nnn([C@@H]3C[C@H](CO)[C@H]4OC(C)(C)O[C@H]43)c2n1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 9/20 0.48
▸ ADORA3 P0DMS8 1/20 0.39
▸ AHCY P23526 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29688156 1.00 P2RY12 (0.48) P2RY12ADORA3AHCY
SCHEMBL16107326 1.00 P2RY12 (0.48) P2RY12ADORA3AHCY
SCHEMBL1838603 0.94 P2RY12 (0.49) P2RY12ADORA3AHCY
SCHEMBL29688154 0.94 P2RY12 (0.49) P2RY12ADORA3AHCY
SCHEMBL1835723 0.89 P2RY12 (0.48) P2RY12ADORA3
SCHEMBL29687768 0.89 P2RY12 (0.48) P2RY12ADORA3
SCHEMBL6619320 0.87 P2RY12 (0.39) P2RY12ADORA3
SCHEMBL1831150 0.83 P2RY12 (0.49) P2RY12ADORA3
SCHEMBL14890553 0.83 P2RY12 (0.49) P2RY12ADORA3
SCHEMBL17679487 0.83 P2RY12 (0.43) P2RY12ADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46276-E1 Triazolo(4,5-D)pyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2017-01-17 — — US claimed
US-20150152111-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION ASTRAZENECA UK LIMITED (GB) 2015-06-04 — — US claimed
US-20140296258-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITON ASTRAZENECA UK LIMITED (GB) 2014-10-02 — — US claimed
US-20130109702-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION ASTRAZENECA AB (GB) 2013-05-02 — — US claimed
US-20130072503-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION ASTRAZENECA (GB) 2013-03-21 — — US claimed
US-20120165348-A1 Novel compounds ASTRAZENECA AB (SE) 2012-06-28 — — US claimed
EP-2322513-A2 Intermediates AstraZeneca AB (SE) 2011-05-18 — — EP claimed
US-20100069408-A1 Trisubstituted triazolopyrimidines for use in platelet aggregation inhibition ASTRAZENECA AB (SE) 2010-03-18 — — US claimed
EP-1135391-B1 NOVEL TRIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 — — EP claimed
US-20030144305-A1 Novel compounds ASTRAZENECA AB 2003-07-31 — — US claimed
US-6525060-B1 P2T (P2YADP or P2TAC) receptor antagonists; anticoagulant, antithrombotic ASTRAZENECA UK LIMITED (GB) 2003-02-25 — — US claimed
US-11354990-B2 Treatment of kidney diseases associated with elevated AVP THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2022-06-07 — — US disclosed
US-20200234552-A1 TREATMENT OF KIDNEY DISEASES ASSOCIATED WITH ELEVATED AVP THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2020-07-23 — — US disclosed
US-10614684-B2 Treatment of kidney diseases associated with elevated AVP THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE (US) 2020-04-07 — — US disclosed
US-20180214450-A1 TREATMENT OF KIDNEY DISEASES ASSOCIATED WITH ELEVATED AVP THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2018-08-02 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120165348-A1 Novel compounds P2RX5, P2RX4, P2RY4 P2RY12 25/4885ADORA3 35/4885AHCY 2792/4885
US-10614684-B2 Treatment of kidney diseases associated with elevated AVP AVPR2, PKD1, AVPR1A P2RY12 321/4885ADORA3 85/4885AHCY 271/4885
US-20180214450-A1 TREATMENT OF KIDNEY DISEASES ASSOCIATED WITH ELEVATED AVP AVPR2, PKD1, AVPR1A P2RY12 321/4885ADORA3 85/4885AHCY 271/4885
US-11354990-B2 Treatment of kidney diseases associated with elevated AVP AVPR2, PKD1, AVPR1A P2RY12 321/4885ADORA3 85/4885AHCY 271/4885
US-20150152111-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION THPO, PF4, P2RY4 P2RY12 12/4885ADORA3 154/4885AHCY 3453/4885
US-20100069408-A1 Trisubstituted triazolopyrimidines for use in platelet aggregation inhibition THPO, PF4, P2RY4 P2RY12 12/4885ADORA3 154/4885AHCY 3453/4885
US-20140296258-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITON GP6, THPO, P2RY6 P2RY12 11/4885ADORA3 159/4885AHCY 3300/4885
US-20030144305-A1 Novel compounds DPYD, TYMP, NUDT15 P2RY12 72/4885ADORA3 230/4885AHCY 2881/4885
US-20200234552-A1 TREATMENT OF KIDNEY DISEASES ASSOCIATED WITH ELEVATED AVP AVPR2, PKD1, AVPR1A P2RY12 321/4885ADORA3 85/4885AHCY 271/4885
US-20130072503-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION THPO, PF4, P2RY4 P2RY12 12/4885ADORA3 154/4885AHCY 3453/4885
US-20130109702-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION THPO, PF4, P2RY4 P2RY12 12/4885ADORA3 154/4885AHCY 3453/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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